N-[2-(4-amino-5-morpholin-4-ylpyridazin-3-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide

C24H28ClN5O3S — CID 122185758

IUPACN-[2-(4-amino-5-morpholin-4-ylpyridazin-3-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2nncc(N3CCOCC3)c2N)cc1
InChIInChI=1S/C24H28ClN5O3S/c1-24(2,3)16-4-7-18(8-5-16)34(31,32)29-20-9-6-17(25)14-19(20)23-22(26)21(15-27-28-23)30-10-12-33-13-11-30/h4-9,14-15,29H,10-13H2,1-3H3,(H2,26,27)
InChIKeyNHIOMLRISKSZIR-UHFFFAOYSA-N
MW502.04 g/mol
LogP4.31
Rot. Bonds5

About N-[2-(4-amino-5-morpholin-4-ylpyridazin-3-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide

N-[2-(4-amino-5-morpholin-4-ylpyridazin-3-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide (PubChem CID 122185758) has the molecular formula C24H28ClN5O3S and a molecular weight of 502.04 g/mol. Its IUPAC name is N-[2-(4-amino-5-morpholin-4-ylpyridazin-3-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-amino-5-morpholin-4-ylpyridazin-3-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide
PubChem CID122185758
Molecular FormulaC24H28ClN5O3S
Molecular Weight502.04 g/mol
Exact Mass501.16
IUPAC NameN-[2-(4-amino-5-morpholin-4-ylpyridazin-3-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2nncc(N3CCOCC3)c2N)cc1
InChIInChI=1S/C24H28ClN5O3S/c1-24(2,3)16-4-7-18(8-5-16)34(31,32)29-20-9-6-17(25)14-19(20)23-22(26)21(15-27-28-23)30-10-12-33-13-11-30/h4-9,14-15,29H,10-13H2,1-3H3,(H2,26,27)
InChIKeyNHIOMLRISKSZIR-UHFFFAOYSA-N
XLogP4.31
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.04
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-5-morpholin-4-ylpyridazin-3-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-[2-(4-amino-5-morpholin-4-ylpyridazin-3-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide (CID 122185758) is N-[2-(4-amino-5-morpholin-4-ylpyridazin-3-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-amino-5-morpholin-4-ylpyridazin-3-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-amino-5-morpholin-4-ylpyridazin-3-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2nncc(N3CCOCC3)c2N)cc1.
What is the InChIKey of N-[2-(4-amino-5-morpholin-4-ylpyridazin-3-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide?
The InChIKey is NHIOMLRISKSZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O3S/c1-24(2,3)16-4-7-18(8-5-16)34(31,32)29-20-9-6-17(25)14-19(20)23-22(26)21(15-27-28-23)30-10-12-33-13-11-30/h4-9,14-15,29H,10-13H2,1-3H3,(H2,26,27).
What are the key properties of N-[2-(4-amino-5-morpholin-4-ylpyridazin-3-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide?
N-[2-(4-amino-5-morpholin-4-ylpyridazin-3-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide has a molecular weight of 502.04 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-5-morpholin-4-ylpyridazin-3-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 122185758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).